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25412-66-2 molecular structure
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3-methoxybenzene-1-carboximidamide

ChemBase ID: 797890
Molecular Formular: C8H10N2O
Molecular Mass: 150.1778
Monoisotopic Mass: 150.07931295
SMILES and InChIs

SMILES:
c1(cc(ccc1)OC)C(=N)N
Canonical SMILES:
COc1cccc(c1)C(=N)N
InChI:
InChI=1S/C8H10N2O/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKey:
ZSHGVAIVMZVMPD-UHFFFAOYSA-N

Cite this record

CBID:797890 http://www.chembase.cn/molecule-797890.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxybenzene-1-carboximidamide
IUPAC Traditional name
3-methoxybenzenecarboximidamide
Synonyms
3-Methoxy-benzamidine
CAS Number
25412-66-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9942 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9942 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6791735  LogD (pH = 7.4) -1.6605778 
Log P 0.73604304  Molar Refractivity 54.1937 cm3
Polarizability 16.534853 Å3 Polar Surface Area 59.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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